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Tert-butyl 4-(4-oxobutan-2-yl)benzoate

Base Information Edit
  • Chemical Name:Tert-butyl 4-(4-oxobutan-2-yl)benzoate
  • CAS No.:389625-40-5
  • Molecular Formula:C15H20O3
  • Molecular Weight:248.3175
  • Hs Code.:
  • DSSTox Substance ID:DTXSID90455883
  • Mol file:389625-40-5.mol
Tert-butyl 4-(4-oxobutan-2-yl)benzoate

Synonyms:389625-40-5;2-Methyl-2-propanyl 4-(4-oxo-2-butanyl)benzoate;Tert-butyl 4-(4-oxobutan-2-yl)benzoate;DTXSID90455883

Suppliers and Price of Tert-butyl 4-(4-oxobutan-2-yl)benzoate
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
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Total 0 raw suppliers
Chemical Property of Tert-butyl 4-(4-oxobutan-2-yl)benzoate Edit
Chemical Property:
  • PSA:43.37000 
  • LogP:3.33440 
  • XLogP3:2.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:6
  • Exact Mass:248.14124450
  • Heavy Atom Count:18
  • Complexity:283
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CC(CC=O)C1=CC=C(C=C1)C(=O)OC(C)(C)C
Technology Process of Tert-butyl 4-(4-oxobutan-2-yl)benzoate

There total 4 articles about Tert-butyl 4-(4-oxobutan-2-yl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 ℃; for 0.25h;
DOI:10.1248/cpb.49.1280
Guidance literature:
Multi-step reaction with 4 steps
1: 79 percent / toluene / 2 h / Heating
2: 39 percent / Me3SiCl / diethyl ether / 3 h / -78 - 20 °C
3: 96 percent / LiBH4 / diethyl ether / 13 h / 20 °C
4: 93 percent / (COCl)2; DMSO / CH2Cl2 / 0.25 h / -60 °C
With lithium borohydride; chloro-trimethyl-silane; oxalyl dichloride; dimethyl sulfoxide; In diethyl ether; dichloromethane; toluene; 4: Swern oxidation;
DOI:10.1248/cpb.49.1280
Guidance literature:
Multi-step reaction with 3 steps
1: 39 percent / Me3SiCl / diethyl ether / 3 h / -78 - 20 °C
2: 96 percent / LiBH4 / diethyl ether / 13 h / 20 °C
3: 93 percent / (COCl)2; DMSO / CH2Cl2 / 0.25 h / -60 °C
With lithium borohydride; chloro-trimethyl-silane; oxalyl dichloride; dimethyl sulfoxide; In diethyl ether; dichloromethane; 3: Swern oxidation;
DOI:10.1248/cpb.49.1280
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